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112404-30-5

112404-30-5 structural image
Product Name: 2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-2,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIONE
Formula: C17H19BrO3
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COMPUTED DESCRIPTORS

Molecular Weight 351.2 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 350.05176 g/mol
Monoisotopic Mass 350.05176 g/mol
Topological Polar Surface Area 51.2 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 439
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes